3-(3,4-dimethylphenyl)-8-(3,4,5-trimethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-8-(3,4,5-trimethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(3,4-dimethylphenyl)-8-(3,4,5-trimethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | E697-0156 |
| Compound Name: | 3-(3,4-dimethylphenyl)-8-(3,4,5-trimethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C25 H29 N3 O5 |
| Smiles: | Cc1ccc(cc1C)C1C(NC2(CCN(CC2)C(c2cc(c(c(c2)OC)OC)OC)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7569 |
| logD: | 2.756 |
| logSw: | -3.2148 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.215 |
| InChI Key: | IBHGFFJGFQRGNS-UHFFFAOYSA-N |